First cycle
degree courses
Second cycle
degree courses
Single cycle
degree courses
School of Science
CHEMISTRY
Course unit
THEORETICAL CHEMISTRY
SC01101389, A.A. 2018/19

Information concerning the students who enrolled in A.Y. 2018/19

Information on the course unit
Degree course Second cycle degree in
CHEMISTRY (Ord. 2018)
SC1169, Degree course structure A.Y. 2018/19, A.Y. 2018/19
N0
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Degree course track Common track
Number of ECTS credits allocated 6.0
Type of assessment Mark
Course unit English denomination THEORETICAL CHEMISTRY
Website of the academic structure http://www.chimica.unipd.it/corsi/corsi-di-laurea-magistrale/laurea-magistrale-chimica
Department of reference Department of Chemical Sciences
Mandatory attendance No
Language of instruction Italian
Branch PADOVA
Single Course unit The Course unit can be attended under the option Single Course unit attendance
Optional Course unit The Course unit can be chosen as Optional Course unit

Lecturers
Teacher in charge DIEGO FREZZATO CHIM/02

ECTS: details
Type Scientific-Disciplinary Sector Credits allocated
Core courses CHIM/02 Physical Chemistry 6.0

Course unit organization
Period Second semester
Year 1st Year
Teaching method frontal

Type of hours Credits Teaching
hours
Hours of
Individual study
Shifts
Lecture 6.0 48 102.0 No turn

Calendar
Start of activities 25/02/2019
End of activities 14/06/2019
Show course schedule 2019/20 Reg.2018 course timetable

Examination board
Board From To Members of the board
5 a.a. 2018/19 15/04/2018 30/11/2019 FREZZATO DIEGO (Presidente)
FRESCH BARBARA (Membro Effettivo)
MORO GIORGIO (Membro Effettivo)
ORIAN LAURA (Membro Effettivo)
POLIMENO ANTONINO (Membro Effettivo)
ZERBETTO MIRCO (Membro Effettivo)

Syllabus
Prerequisites: Basic knowledge in chemistry, physics and mathematics
Target skills and knowledge: The course develops the theoretical basis for the comprehension of molecular processes in condensed phases and for the interpretation of spectroscopic measurements.
Examination methods: Oral examination, with the possibility to analyse a specific problem and discuss a brief report on it.
Assessment criteria: Evaluation will be based on the level of understanding of basic formal methods shown by the student, and on the capability of applying such methods to specific physico-chemical problems
Course unit contents: 1. Description of molecular stochastic dynamics: theory of stochastic processes, Fokker-Planck equation, stochastic differential equations; tools for the numerical solution; correlation functions and spectral densities; stochastic chemical kinetics.

2. Laws of transformation under rotation: change of representation of scalar, vector and tensor properties under rotation of the reference frame; rotation of scalar fields; rotational stochastic dynamics.

3. Linear response theory: response of a classical system to weak perturbations.

4. Open quantum system dynamics: response theory, Master Equation, formal treatment of spectroscopic observables.

5. Stochastic Thermodynamics: work fluctuation theorems and applications.
Planned learning activities and teaching methods: Frontal lectures and hands-on activities
Additional notes about suggested reading: Lecture notes and handouts

Reference books:

Szabo, A., and N.S. Ostlund. Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory. Dover Publications, 2012.

Weiss, U. Quantum Dissipative Systems. World Scientific, 2008.

Zwanzig, R. Nonequilibrium Statistical Mechanics. Oxford University Press, New York, 2001.

Gardiner, C. W. Handbook of stochastic methods, 3rd ed. Springer-Verlag, 2004.

Rose, M. E. Elementary Theory of Angular Momentum. Dover Publications, 1995.

Sekimoto, K. Stochastic Energetics, Lecture Notes in Physics Vol. 799. Springer, 2010.
Textbooks (and optional supplementary readings)

Innovative teaching methods: Teaching and learning strategies
  • Lecturing
  • Case study
  • Loading of files and pages (web pages, Moodle, ...)

Innovative teaching methods: Software or applications used
  • Matlab

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